TY - JOUR ID - 34991 TI - Evaluation of the Effect of Changes in Halogenated Compounds on NICS of Promethazine JO - International Journal of New Chemistry JA - IJNC LA - en SN - 2645-7237 AU - Jamalvandi, Rohallah AD - Department of Chemistry, Faculty of Science, Arak University, Arak 38156-8-8349, Iran. Y1 - 2016 PY - 2016 VL - 3 IS - 4 SP - 93 EP - 97 KW - Promethazine KW - Hallucination Aromatization KW - Level HF / 6-31G DO - 10.22034/ijnc.2016.34991 N2 - In this research at the first Promethazine drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Promethazine is not used as an antihistaminic drug for anyone. In the pharmaceutical composition of promethazine (RS) - N, N-dimethyl-1- (10H-Phenothaiazin-10 yl) -propen-2-amino, two aromatic rings In this study, halogens are connected to one of their loops and the changes in the type of halogen at the surface * HF / 6-31G are calculated. The calculations show that, by changing the type of halogen based on the variation of electronegativity of halogens, the aromatase level is as follows increase. R-F> R-Cl> R-Br. The data in tables and graphs and shapes were compared and discussed. UR - https://www.ijnc.ir/article_34991.html L1 - https://www.ijnc.ir/article_34991_b50411a2ad6c64ffa9e7b1c1d0367991.pdf ER -